[3-azanylidene-1-oxidanidyl-6-(phenylsulfonyl)-1,2,4-benzotriazin-1-ium-4-yl] ethanoate

Systemtic Name: [3-azanylidene-1-oxidanidyl-6-(phenylsulfonyl)-1,2,4-benzotriazin-1-ium-4-yl] ethanoate Openeye Name: [6-(benzenesulfonyl)-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl] acetate CAS Name: acetic acid [6-(benzenesulfonyl)-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl] ester IUPAC Name: [6-(benzenesulfonyl)-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl] acetate Traditional Name: acetic acid (6-besyl-3-imino-1-oxido-1,2,4-benzotriazin-1-ium-4-yl) ester Formula: C15H12N4O5S MolecularWeight: 360.34458

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)ON1C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=NC1=N)[O-]

Isomeric SMILES

CC(=O)ON1C2=C(C=CC(=C2)S(=O)(=O)C3=CC=CC=C3)[N+](=NC1=N)[O-]

InChI

InChI=1S/C15H12N4O5S/c1-10(20)24-18-14-9-12(7-8-13(14)19(21)17-15(18)16)25(22,23)11-5-3-2-4-6-11/h2-9,16H,1H3